* Input_File: "/opt/eprints3/archives/ecrystals/documents/disk0/00/00/05/02/01/07skc0007p21c.mol" Structure: 1 InChI=1/C8H20N.C4H4O4/c1-7(2,3)6-8(4,5)9;5-3(6)1-2-4(7)8/h6H2,1-5,9H3;1-2,5,7H/q;-2/p-2/b;2-1+ AuxInfo=1/1/N:11,20,24,28,32,16,15,19,36;2,7,1,6,5,4,10,9/E:(1,2,3)(4,5);(1,2)(3,4)(5,7)(6,8)/CRV:9.4;6-1.2,8-1.2/rA:39nCCHO2-O-CCHO2-O-CHHHCCHHCCHHHCHHHCHHHCHHHN4HHH/rB:s1;s2;d1;s1;;d2s6;s7;d6;s6;;s11;s11;s11;s11;s15;s16;s16;s16;s15;s20;s20;s20;s15;s24;s24;s24;s19;s28;s28;s28;s19;s32;s32;s32;s19;s36;s36;s36;/rC:-2.131,-2.031,9.66;-1.662,-2.506,8.349;-1.335,-1.868,7.727;-2.222,-2.795,10.628;-2.462,-.797,9.71;-1.205,-4.276,6.679;-1.674,-3.801,7.99;-2.001,-4.439,8.612;-1.114,-3.512,5.71;-.874,-5.51,6.629;2.171,.965,8.439;1.393,.728,7.89;2.977,.561,8.053;2.27,1.938,8.462;1.971,.441,9.847;.558,.876,10.258;-.07,.373,9.679;.471,1.83,10.006;.023,.752,11.697;3.079,.976,10.756;3.952,.759,10.367;3.003,.563,11.641;2.993,1.949,10.841;2.083,-1.089,9.761;1.291,-1.449,9.31;2.141,-1.463,10.664;2.886,-1.33,9.254;.13,-.646,12.326;-.384,-.669,13.161;1.07,-.848,12.516;-.229,-1.313,11.705;.53,1.839,12.646;.366,2.721,12.249;1.491,1.721,12.793;.057,1.772,13.501;-1.457,.991,11.539;-1.597,1.833,11.225;-1.868,.895,12.344;-1.801,.387,10.949;